(6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide

C18H19N3O3 — CID 129418294

IUPAC(6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)cc1
InChIInChI=1S/C18H19N3O3/c1-11(22)12-3-6-15(7-4-12)19-18(24)13-5-8-16-14(9-13)10-17(23)21(2)20-16/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,19,24)/t13-/m0/s1
InChIKeyZKTGPVLLBRIJNL-ZDUSSCGKSA-N
MW325.37 g/mol
LogP1.73
Rot. Bonds3

About (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide

(6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide (PubChem CID 129418294) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
PubChem CID129418294
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)cc1
InChIInChI=1S/C18H19N3O3/c1-11(22)12-3-6-15(7-4-12)19-18(24)13-5-8-16-14(9-13)10-17(23)21(2)20-16/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,19,24)/t13-/m0/s1
InChIKeyZKTGPVLLBRIJNL-ZDUSSCGKSA-N
XLogP1.73
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-(2,2-dimethoxyethyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
CID 100740532
N-(4-acetylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201034
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
tert-butyl N-[3-[[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carbonyl]amino]propyl]carbamate
CID 129417699
N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687375
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 124873744
6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 121199716
2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
CID 163924526
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
(6S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 129416249
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
The IUPAC name of (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide (CID 129418294) is (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide.
What is the SMILES notation for (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
The canonical SMILES for (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide is CC(=O)c1ccc(NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)cc1.
What is the InChIKey of (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
The InChIKey is ZKTGPVLLBRIJNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(22)12-3-6-15(7-4-12)19-18(24)13-5-8-16-14(9-13)10-17(23)21(2)20-16/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,19,24)/t13-/m0/s1.
What are the key properties of (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide?
(6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide is sourced from PubChem (CID 129418294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).